undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

C24H43NO3 — CID 91695555

IUPACundecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-9-12-20-28-24(27)22-16-13-19-25(22)23(26)18-17-21-14-10-11-15-21/h21-22H,2-20H2,1H3
InChIKeySWNPLDKJETUMOW-UHFFFAOYSA-N
MW393.61 g/mol
LogP6.02
Rot. Bonds14

About undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91695555) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameundecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID91695555
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Nameundecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-9-12-20-28-24(27)22-16-13-19-25(22)23(26)18-17-21-14-10-11-15-21/h21-22H,2-20H2,1H3
InChIKeySWNPLDKJETUMOW-UHFFFAOYSA-N
XLogP6.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-cyclohexyl-propyl ester
CID 44365450
L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
L-Proline, N-valeryl-, hexadecyl ester
CID 91695473
dodecyl N-acetylprolinate
CID 129846608
l-Proline, N-(3-cyclopentylpropionyl)-, methyl ester
CID 531446
l-Proline, N-methoxycarbonyl-, tetradecyl ester
CID 6422725
l-Proline, N-methoxycarbonyl-, dodecyl ester
CID 6422731
l-Proline, N-methoxycarbonyl-, pentadecyl ester
CID 6422732
l-Proline, N-methoxycarbonyl-, hexadecyl ester
CID 6422733
l-Proline, N-methoxycarbonyl-, heptadecyl ester
CID 6422734
l-Proline, N-methoxycarbonyl-, octadecyl ester
CID 6422735
l-Proline, N-isobutoxycarbonyl-, octyl ester
CID 6424620

Frequently Asked Questions

What is the IUPAC name of undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 91695555) is undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is CCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is SWNPLDKJETUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-9-12-20-28-24(27)22-16-13-19-25(22)23(26)18-17-21-14-10-11-15-21/h21-22H,2-20H2,1H3.
What are the key properties of undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 393.61 g/mol, XLogP of 6.02, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).